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youkiwang

新虫 (初入文坛)

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虫号: 1825865
注册: 2012-05-19
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专业: 中药药效物质

[求助] bash中使用autodock4却出错，cannot executed binary file:Exec format error

#! /bin/bash
cd /home/admin815/program/mgltools/VirtualScreen/ligand
ls *.pdbqt > ../etc/ligand.list
cd ../docking
for i in $(cat ../etc/ligand.list)
do
f=${i%.pdbqt}
mkdir $f
cd $f
cp ../../ligand/$i .
ln -s ../../receptor/receptor.pdbqt .
ln -s ../../receptor/*map* .
../pythonsh /home/admin815/program/mgltools/VirtualScreen/script/prepare_dpf4.py -l $i -r \
receptor.pdbqt [-o ${f}_receptor.dpf] -p ga_num_evals=1750000 \
-p ga_pop_size=150 \
-p ga_run=20 \
-p rmstol=2.0
cd ..
done
可以运行，生成dpf

#! /bin/bash
cd ../docking
for i in $(cat ../etc/ligand.list)
do
f=${i%.pdbqt}
cd $f
autodock4 -p ${f}_receptor.dpf -l ${f}_receptor.dlg
cd ..
done
这个就不行了，cannot executed binary file:Exec format error
请大家帮忙看看

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